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1443354-23-1 | 6-(3,4,5-Trifluoro-phenoxy)hexanenitrile
CAS No: 1443354-23-1 Catalog No: AG01FC3E MDL No:
Product Description
Catalog Number:
AG01FC3E
Chemical Name:
6-(3,4,5-Trifluoro-phenoxy)hexanenitrile
CAS Number:
1443354-23-1
Molecular Formula:
C12H12F3NO
Molecular Weight:
243.2250
IUPAC Name:
6-(3,4,5-trifluorophenoxy)hexanenitrile
InChI:
InChI=1S/C12H12F3NO/c13-10-7-9(8-11(14)12(10)15)17-6-4-2-1-3-5-16/h7-8H,1-4,6H2
InChI Key:
BRDBJBIMOVZMTL-UHFFFAOYSA-N
SMILES:
N#CCCCCCOc1cc(F)c(c(c1)F)F
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.229g/mol
Monoisotopic Mass:
243.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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